7UUR
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![BU of 7uur by Molmil](/molmil-images/mine/7uur) | The 1.67 Angstrom CryoEM structure of the [NiFe]-hydrogenase Huc from Mycobacterium smegmatis - catalytic dimer (Huc2S2L) | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, HYDROXIDE ION, ... | 著者 | Grinter, R, Venugopal, H, Kropp, A, Greening, C. | 登録日 | 2022-04-28 | 公開日 | 2023-01-04 | 最終更新日 | 2023-03-29 | 実験手法 | ELECTRON MICROSCOPY (1.67 Å) | 主引用文献 | Structural basis for bacterial energy extraction from atmospheric hydrogen. Nature, 615, 2023
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7UUS
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![BU of 7uus by Molmil](/molmil-images/mine/7uus) | The CryoEM structure of the [NiFe]-hydrogenase Huc from Mycobacterium smegmatis - Full complex focused refinement of stalk | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2, ... | 著者 | Grinter, R, Venugopal, H, Kropp, A, Greening, C. | 登録日 | 2022-04-28 | 公開日 | 2023-01-04 | 最終更新日 | 2023-04-05 | 実験手法 | ELECTRON MICROSCOPY (8 Å) | 主引用文献 | Structural basis for bacterial energy extraction from atmospheric hydrogen. Nature, 615, 2023
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7UTD
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![BU of 7utd by Molmil](/molmil-images/mine/7utd) | The 2.19-angstrom CryoEM structure of the [NiFe]-hydrogenase Huc from Mycobacterium smegmatis - Complex minus stalk | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2, ... | 著者 | Grinter, R, Venugopal, H, Kropp, A, Greening, C. | 登録日 | 2022-04-26 | 公開日 | 2023-01-04 | 最終更新日 | 2023-04-05 | 実験手法 | ELECTRON MICROSCOPY (2.19 Å) | 主引用文献 | Structural basis for bacterial energy extraction from atmospheric hydrogen. Nature, 615, 2023
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5MZI
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![BU of 5mzi by Molmil](/molmil-images/mine/5mzi) | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid | 分子名称: | 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Rowland, P. | 登録日 | 2017-01-31 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis. J. Med. Chem., 60, 2017
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5N7T
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![BU of 5n7t by Molmil](/molmil-images/mine/5n7t) | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5,6-dichloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid | 分子名称: | 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Rowland, P. | 登録日 | 2017-02-21 | 公開日 | 2017-06-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | The discovery of potent and selective kynurenine 3-monooxygenase inhibitors for the treatment of acute pancreatitis. Bioorg. Med. Chem. Lett., 27, 2017
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5MZC
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5MZK
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![BU of 5mzk by Molmil](/molmil-images/mine/5mzk) | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid | 分子名称: | 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Rowland, P. | 登録日 | 2017-01-31 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis. J. Med. Chem., 60, 2017
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2Y3P
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![BU of 2y3p by Molmil](/molmil-images/mine/2y3p) | Crystal structure of N-terminal domain of GyrA with the antibiotic simocyclinone D8 | 分子名称: | DNA GYRASE SUBUNIT A, MAGNESIUM ION, SIMOCYCLINONE D8 | 著者 | Edwards, M.J, Flatman, R.H, Mitchenall, L.A, Stevenson, C.E.M, Le, T.B.K, Clarke, T.A, McKay, A.R, Fiedler, H.-P, Buttner, M.J, Lawson, D.M, Maxwell, A. | 登録日 | 2010-12-22 | 公開日 | 2010-12-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | A Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8, Bound to DNA Gyrase. Science, 326, 2009
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4P26
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![BU of 4p26 by Molmil](/molmil-images/mine/4p26) | Structure of the P domain from a GI.7 Norovirus variant in complex with A-type 2 HBGA | 分子名称: | P domain of VP1, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-03-01 | 公開日 | 2014-04-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4P2N
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![BU of 4p2n by Molmil](/molmil-images/mine/4p2n) | Structure of the P domain from a GI.7 Norovirus variant in complex with LeX HBGA | 分子名称: | Major capsid protein, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-03-04 | 公開日 | 2014-04-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4P1V
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![BU of 4p1v by Molmil](/molmil-images/mine/4p1v) | Structure of the P domain from a GI.7 Norovirus variant in complex with H-type 2 HBGA | 分子名称: | P domain of VPI, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-02-27 | 公開日 | 2014-04-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5497 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4Q5T
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4P3I
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![BU of 4p3i by Molmil](/molmil-images/mine/4p3i) | Structure of the P domain from a GI.7 Norovirus variant in complex with LeA HBGA. | 分子名称: | P domain of VP1, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-03-07 | 公開日 | 2014-04-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.6941 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4P12
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![BU of 4p12 by Molmil](/molmil-images/mine/4p12) | Native Structure of the P domain from a GI.7 Norovirus variant. | 分子名称: | Major capsid protein | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-02-24 | 公開日 | 2014-04-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6011 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4P25
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![BU of 4p25 by Molmil](/molmil-images/mine/4p25) | Structure of the P domain from a GI.7 Norovirus variant in complex with LeY HBGA. | 分子名称: | Major capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-03-01 | 公開日 | 2014-04-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.4991 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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3R43
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![BU of 3r43 by Molmil](/molmil-images/mine/3r43) | AKR1C3 complexed with mefenamic acid | 分子名称: | 1,2-ETHANEDIOL, 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, Aldo-keto reductase family 1 member C3, ... | 著者 | Squire, C.J, Teague, R.M, Yosaatmadja, L. | 登録日 | 2011-03-17 | 公開日 | 2012-03-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
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3N0G
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3N0F
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4BTW
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![BU of 4btw by Molmil](/molmil-images/mine/4btw) | Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(cyclohexylamino)-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, ... | 著者 | Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A. | 登録日 | 2013-06-19 | 公開日 | 2013-12-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode. J.Med.Chem., 56, 2013
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4BTX
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![BU of 4btx by Molmil](/molmil-images/mine/4btx) | Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-isopropylamino-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, CALCIUM ION, ... | 著者 | Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A. | 登録日 | 2013-06-19 | 公開日 | 2013-12-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode. J.Med.Chem., 56, 2013
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6QNV
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![BU of 6qnv by Molmil](/molmil-images/mine/6qnv) | Fibrinogen-like globe domain of Human Tenascin-C | 分子名称: | Tenascin | 著者 | Coker, J.A, Bezerra, G.A, Bradshaw, W.J, Zhang, M, Yosaatmadja, Y, Fernandez-Cid, A, Shrestha, L, Burgess-Brown, N, Gileadi, O, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC) | 登録日 | 2019-02-12 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Fibrinogen-like globe domain of Human Tenascin-C To Be Published
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6F9Q
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![BU of 6f9q by Molmil](/molmil-images/mine/6f9q) | Binary complex of a 7S-cis-cis-nepetalactol cyclase from Nepeta mussinii with NAD+ | 分子名称: | 7S-cis-cis-nepetalactol cyclase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Lichman, B.R, Kamileen, M.O, Titchiner, G, Saalbach, G, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | 登録日 | 2017-12-15 | 公開日 | 2018-12-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Uncoupled activation and cyclization in catmint reductive terpenoid biosynthesis. Nat. Chem. Biol., 15, 2019
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4BTY
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![BU of 4bty by Molmil](/molmil-images/mine/4bty) | Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[4-(4-methylpiperazin-1-yl)phenylamino]-2-(4-chlorophenyl)-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, ... | 著者 | Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A. | 登録日 | 2013-06-19 | 公開日 | 2013-12-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode. J.Med.Chem., 56, 2013
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6T2D
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![BU of 6t2d by Molmil](/molmil-images/mine/6t2d) | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions | 分子名称: | 2-(methylamino)-~{N}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | 著者 | Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M. | 登録日 | 2019-10-08 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 59, 2020
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4ITG
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![BU of 4itg by Molmil](/molmil-images/mine/4itg) | P113S mutant of E. coli Cystathionine beta-lyase MetC | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cystathionine beta-lyase MetC | 著者 | Squire, C.J, Yosaatmadja, Y, Soo, V.W.C, Patrick, W.M. | 登録日 | 2013-01-18 | 公開日 | 2014-12-24 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes. J.Biol.Chem., 291, 2016
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